HRID2140115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID74827

Piperidine, 1-(2-chloroethyl)-

C7H14ClN

结构：Cc1csc2nc(SCc3ccc(C(=O)c4ccc(O)cc4)cc3)n(C)c(=O)c12

HCID18918809

3,5-dimethyl-2-[4-(4-hydroxybenzoyl)benzylthio]thieno[2,3-d]pyrimidin-4(3H)-one

C22H18N2O3S2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1csc2nc(SCc3ccc(C(=O)c4ccc(OCCN5CCCCC5)cc4)cc3)n(C)c(=O)c12

HCID18919161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8819b43ac880499da48d298c54db4c12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][n:2]1[c:3]([S:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([c:22]3[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]3)=[O:29])[cH:19][cH:20]2)[n:4][c:5]2[c:6]([c:7]1=[O:8])[c:9]([CH3:12])[cH:10][s:11]2.[Cl:31][CH2:32][CH2:33][N:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[ClH:30].[K+:44].[K+:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH3:1][n:2]1[c:3]([S:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([c:22]3[cH:23][cH:24][c:25]([O:28][CH2:32][CH2:33][N:34]4[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]4)[cH:26][cH:27]3)=[O:29])[cH:19][cH:20]2)[n:4][c:5]2[c:6]([c:7]1=[O:8])[c:9]([CH3:12])[cH:10][s:11]2.[ClH:31]